SCHEMBL9861527

SCHEMBL9861527

Nc1ccccc1COc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.49
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA7 P43166 6/20 0.49
CA9 Q16790 6/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL51691 0.81 GAA (0.56) CA12CA1CA2CA7CA9
SCHEMBL23456171 0.80 F2 (0.52) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL17554460 0.79 F2 (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL12182466 0.77 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6774236 0.77 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7463852 0.75 NR4A2 (0.68) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7108878 0.75 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL421106 0.75 MAOB (0.58) PKMGAAMAOBNPSR1
SCHEMBL17574388 0.75 MAOB (0.49) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL8816845 0.74 LMNA (0.51) CA12CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462060-A2 Curable composition CIBA-GEIGY AG (CH) 1991-12-18 EP disclosed